Software documentation Open Access
Haralambos Sarimveis
<?xml version='1.0' encoding='utf-8'?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:adms="http://www.w3.org/ns/adms#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dct="http://purl.org/dc/terms/" xmlns:dctype="http://purl.org/dc/dcmitype/" xmlns:dcat="http://www.w3.org/ns/dcat#" xmlns:duv="http://www.w3.org/ns/duv#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:frapo="http://purl.org/cerif/frapo/" xmlns:geo="http://www.w3.org/2003/01/geo/wgs84_pos#" xmlns:gsp="http://www.opengis.net/ont/geosparql#" xmlns:locn="http://www.w3.org/ns/locn#" xmlns:org="http://www.w3.org/ns/org#" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:prov="http://www.w3.org/ns/prov#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:schema="http://schema.org/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:vcard="http://www.w3.org/2006/vcard/ns#" xmlns:wdrs="http://www.w3.org/2007/05/powder-s#"> <rdf:Description rdf:about="https://doi.org/10.5281/zenodo.3610182"> <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/> <dct:type rdf:resource="http://purl.org/dc/dcmitype/Text"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.5281/zenodo.3610182</dct:identifier> <foaf:page rdf:resource="https://doi.org/10.5281/zenodo.3610182"/> <dct:creator> <rdf:Description> <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/> <foaf:name>Haralambos Sarimveis</foaf:name> <org:memberOf> <foaf:Organization> <foaf:name>School of Chemical Engineering</foaf:name> </foaf:Organization> </org:memberOf> </rdf:Description> </dct:creator> <dct:title>Jaqpot 5: How to simulate biodistribution scenarios using custom PBPK models</dct:title> <dct:publisher> <foaf:Agent> <foaf:name>Zenodo</foaf:name> </foaf:Agent> </dct:publisher> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2020</dct:issued> <dcat:keyword>Machine learning</dcat:keyword> <dcat:keyword>Biokinetics</dcat:keyword> <dcat:keyword>ChemInformatics</dcat:keyword> <dcat:keyword>NanoInformatics</dcat:keyword> <frapo:isFundedBy rdf:resource="info:eu-repo/grantAgreement/EC/H2020/731032/"/> <schema:funder> <foaf:Organization> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">10.13039/100010661</dct:identifier> <foaf:name>European Commission</foaf:name> </foaf:Organization> </schema:funder> <frapo:isFundedBy rdf:resource="info:eu-repo/grantAgreement/EC/H2020/731075/"/> <schema:funder> <foaf:Organization> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">10.13039/100010661</dct:identifier> <foaf:name>European Commission</foaf:name> </foaf:Organization> </schema:funder> <dcat:contactPoint> <rdf:Description rdf:about="http://orcid.org/0000-0002-8607-9965"> <rdf:type rdf:resource="http://www.w3.org/2006/vcard/ns#Individual"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0002-8607-9965</dct:identifier> <vcard:fn>Haralambos Sarimveis</vcard:fn> <vcard:given-name/> <vcard:family-name/> <vcard:organization-name>School of Chemical Engineering</vcard:organization-name> </rdf:Description> </dcat:contactPoint> <dcat:contactPoint> <rdf:Description> <rdf:type rdf:resource="http://www.w3.org/2006/vcard/ns#Individual"/> <vcard:fn>Pantelis Karatzas</vcard:fn> <vcard:given-name/> <vcard:family-name/> <vcard:organization-name>School of Chemical Engineering</vcard:organization-name> </rdf:Description> </dcat:contactPoint> <dcat:contactPoint> <rdf:Description rdf:about="http://orcid.org/0000-0002-0628-8434"> <rdf:type rdf:resource="http://www.w3.org/2006/vcard/ns#Individual"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0002-0628-8434</dct:identifier> <vcard:fn>Philip Doganis</vcard:fn> <vcard:given-name/> <vcard:family-name/> <vcard:organization-name>School of Chemical Engineering</vcard:organization-name> </rdf:Description> </dcat:contactPoint> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2020-01-16</dct:issued> <owl:sameAs rdf:resource="https://zenodo.org/record/3610182"/> <adms:identifier> <adms:Identifier> <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://zenodo.org/record/3610182</skos:notation> <adms:schemeAgency>url</adms:schemeAgency> </adms:Identifier> </adms:identifier> <dct:isVersionOf rdf:resource="https://doi.org/10.5281/zenodo.3610181"/> <dct:isPartOf rdf:resource="https://zenodo.org/communities/nanocommons"/> <dct:description><p>Jaqpot 5 is a user-friendly web-based e-infrastructure that allows model developers to deploy their predictive models and share them through the web. The Jaqpot 5 GUI&nbsp; directs the model developers to further document their models in a way that can be easily understood and used by end-users with little or no experience on machine learning and statistical analysis.&nbsp;&nbsp; The GUI also allows the end-users to apply the models on their own data for validation and/or prediction purposes and the results are collected and visualised in automatically generated tables, graphs and reports. All major machine learning and statistical data-driven algorithms are supported in Jaqpot 5,&nbsp; by integrating popular libraries such as the Python Scikit-learn and the R Caret libraries. Jaqpot 5 has been designed as a generic modelling and machine learning web platform, but particular emphasis is given on serving the needs of the chemo/bio/nano/pharma/ communities by integrating QSAR, biokinetics, dose-response and read-across models.&nbsp; Jaqpot 5 has been developed by the <a href="https://www.chemeng.ntua.gr/labs/control_lab/index.html">Unit of Process Control and Informatics</a> in the School of Chemical Engineering at the National Technical University of Athens.</p> <p>&nbsp;</p> <p>This document provides a tutorial for simulating biodistribution scenarios using custom PBPK models that have been deployed on Jaqpot5. The resource has been made available at <a href="https://app.jaqpot.org/">https://app.jaqpot.org/</a>.</p></dct:description> <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/PUBLIC"/> <dct:accessRights> <dct:RightsStatement rdf:about="info:eu-repo/semantics/openAccess"> <rdfs:label>Open Access</rdfs:label> </dct:RightsStatement> </dct:accessRights> <dcat:distribution> <dcat:Distribution> <dct:license rdf:resource="https://creativecommons.org/licenses/by/4.0/legalcode"/> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.3610182"/> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.3610182"/> <dcat:byteSize>1278256</dcat:byteSize> <dcat:downloadURL rdf:resource="https://zenodo.org/record/3610182/files/JPQ5_UI_TUTORIAL_NTUA_PBPK.pdf"/> <dcat:mediaType>application/pdf</dcat:mediaType> </dcat:Distribution> </dcat:distribution> </rdf:Description> <foaf:Project rdf:about="info:eu-repo/grantAgreement/EC/H2020/731032/"> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">731032</dct:identifier> <dct:title>The European Nanotechnology Community Informatics Platform: Bridging data and disciplinary gaps for industry and regulators (NanoCommons)</dct:title> <frapo:isAwardedBy> <foaf:Organization> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">10.13039/100010661</dct:identifier> <foaf:name>European Commission</foaf:name> </foaf:Organization> </frapo:isAwardedBy> </foaf:Project> <foaf:Project rdf:about="info:eu-repo/grantAgreement/EC/H2020/731075/"> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">731075</dct:identifier> <dct:title>OpenRiskNet: Open e-Infrastructure to Support Data Sharing, Knowledge Integration and in silico Analysis and Modelling in Risk Assessment</dct:title> <frapo:isAwardedBy> <foaf:Organization> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">10.13039/100010661</dct:identifier> <foaf:name>European Commission</foaf:name> </foaf:Organization> </frapo:isAwardedBy> </foaf:Project> </rdf:RDF>
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